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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-7-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-3H-quinazolin-4-one 6-amino-7-[[(1S)-2-cyclopropyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 4.27 -11.5 4 5 0 84 258.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-7-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-3H-quinazolin-4-one 6-amino-7-[[(1R)-2-cyclopropyl-1…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 4.34 -11.46 4 5 0 84 258.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-6-nitro-3H-quinazolin-4-one 7-[[(1S)-2-cyclopropyl-1-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7 -13.36 2 7 0 104 288.307 5 ↓
Hi High (pH 8-9.5) 3.30 4.94 -40.11 1 7 -1 107 287.299 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-6-nitro-3H-quinazolin-4-one 7-[[(1R)-2-cyclopropyl-1-methyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.16 -13.36 2 7 0 104 288.307 5 ↓
Hi High (pH 8-9.5) 3.30 5.1 -40.12 1 7 -1 107 287.299 5 ↓

Parameters Provided:

ring.id = 521998
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 521998 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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